ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate

C17H25N5O2 — CID 56897120

IUPACethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCCc1nc(N2CCCC(C(=O)OCC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H25N5O2/c1-4-7-14-19-15-13(10-18-21(15)3)16(20-14)22-9-6-8-12(11-22)17(23)24-5-2/h10,12H,4-9,11H2,1-3H3
InChIKeyDRWGKJXWPJDPHL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.10
Rot. Bonds5

About ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate

ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate (PubChem CID 56897120) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
PubChem CID56897120
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nameethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
SMILESCCCc1nc(N2CCCC(C(=O)OCC)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H25N5O2/c1-4-7-14-19-15-13(10-18-21(15)3)16(20-14)22-9-6-8-12(11-22)17(23)24-5-2/h10,12H,4-9,11H2,1-3H3
InChIKeyDRWGKJXWPJDPHL-UHFFFAOYSA-N
XLogP2.10
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
CID 8548589
ethyl 1-[1-(2-chlorophenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 42671372
ethyl (3S)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547425
ethyl (3R)-1-[4-(benzylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]piperidine-3-carboxylate
CID 8547414
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 95711494
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772
6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate (CID 56897120) is ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate is CCCc1nc(N2CCCC(C(=O)OCC)C2)c2cnn(C)c2n1.
What is the InChIKey of ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
The InChIKey is DRWGKJXWPJDPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-7-14-19-15-13(10-18-21(15)3)16(20-14)22-9-6-8-12(11-22)17(23)24-5-2/h10,12H,4-9,11H2,1-3H3.
What are the key properties of ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate?
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 56897120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).